2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one

C11H11FN2O2 — CID 153056766

IUPAC2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cc(=O)n2cc(C)cc(F)c2n1
InChIInChI=1S/C11H11FN2O2/c1-3-16-9-5-10(15)14-6-7(2)4-8(12)11(14)13-9/h4-6H,3H2,1-2H3
InChIKeyVIQMPHFJQVFGRH-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.54
Rot. Bonds2

About 2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one

2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 153056766) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID153056766
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cc(=O)n2cc(C)cc(F)c2n1
InChIInChI=1S/C11H11FN2O2/c1-3-16-9-5-10(15)14-6-7(2)4-8(12)11(14)13-9/h4-6H,3H2,1-2H3
InChIKeyVIQMPHFJQVFGRH-UHFFFAOYSA-N
XLogP1.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 153056766) is 2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one is CCOc1cc(=O)n2cc(C)cc(F)c2n1.
What is the InChIKey of 2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VIQMPHFJQVFGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-3-16-9-5-10(15)14-6-7(2)4-8(12)11(14)13-9/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 222.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 153056766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).